potassium;hydride;tripropan-2-yloxy borate

C9H22BKO6 — CID 175575805

IUPACpotassium;hydride;tripropan-2-yloxy borate
SMILESCC(C)OOB(OOC(C)C)OOC(C)C.[H-].[K+]
InChIInChI=1S/C9H21BO6.K.H/c1-7(2)11-14-10(15-12-8(3)4)16-13-9(5)6;;/h7-9H,1-6H3;;/q;+1;-1
InChIKeyKMDBTYZRYFVLFS-UHFFFAOYSA-N
MW276.18 g/mol
LogP-0.84
Rot. Bonds9

About potassium;hydride;tripropan-2-yloxy borate

potassium;hydride;tripropan-2-yloxy borate (PubChem CID 175575805) has the molecular formula C9H22BKO6 and a molecular weight of 276.18 g/mol. Its IUPAC name is potassium;hydride;tripropan-2-yloxy borate.

Molecular Properties

Compound Namepotassium;hydride;tripropan-2-yloxy borate
PubChem CID175575805
Molecular FormulaC9H22BKO6
Molecular Weight276.18 g/mol
Exact Mass276.11
IUPAC Namepotassium;hydride;tripropan-2-yloxy borate
SMILESCC(C)OOB(OOC(C)C)OOC(C)C.[H-].[K+]
InChIInChI=1S/C9H21BO6.K.H/c1-7(2)11-14-10(15-12-8(3)4)16-13-9(5)6;;/h7-9H,1-6H3;;/q;+1;-1
InChIKeyKMDBTYZRYFVLFS-UHFFFAOYSA-N
XLogP-0.84
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;tripropan-2-yloxy borate?
The IUPAC name of potassium;hydride;tripropan-2-yloxy borate (CID 175575805) is potassium;hydride;tripropan-2-yloxy borate.
What is the SMILES notation for potassium;hydride;tripropan-2-yloxy borate?
The canonical SMILES for potassium;hydride;tripropan-2-yloxy borate is CC(C)OOB(OOC(C)C)OOC(C)C.[H-].[K+].
What is the InChIKey of potassium;hydride;tripropan-2-yloxy borate?
The InChIKey is KMDBTYZRYFVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO6.K.H/c1-7(2)11-14-10(15-12-8(3)4)16-13-9(5)6;;/h7-9H,1-6H3;;/q;+1;-1.
What are the key properties of potassium;hydride;tripropan-2-yloxy borate?
potassium;hydride;tripropan-2-yloxy borate has a molecular weight of 276.18 g/mol, XLogP of -0.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;tripropan-2-yloxy borate is sourced from PubChem (CID 175575805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).